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Register a new userExchange engineering in 3d chains adsorbed on Cu$_2$N/Cu(001)
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Added by
Maria Andrea Barral
Publication date
2012
fields
Physics
and research's language is
English
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Covalent substrates can give rise to a variety of magnetic interaction mechanisms among adsorbed transition metal atoms building atomic nanostructures. We show this by calculating the ground state magnetic configuration of monoatomic 3d chains deposited on a monolayer of Cu$_2$N grown on Cu(001) as a function of $d$ filling and of adsorption sites of the one dimensional nanostructures.
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We present results of density-functional calculations on the magnetic properties of Cr, Mn, Fe and Co nano-clusters (1 to 9 atoms large) supported on Cu(001) and Cu(111). The inter-atomic exchange coupling is found to depend on competing mechanisms, namely ferromagnetic double exchange and antiferromagnetic kinetic exchange. Hybridization-induced broadening of the resonances is shown to be important for the coupling strength. The cluster shape is found to weaken the coupling via a mechanism that comprises the different orientation of the atomic d-orbitals and the strength of nearest-neighbour hopping. Especially in Fe clusters, a correlation of binding energy and exchange coupling is also revealed.
Scanning tunnelling microscopy and density functional theory studies of manganese chains adsorbed on Cu$_2$N/Cu (100) reveal an unsuspected electronic edge state at $sim 1$ eV above the Fermi energy. This Tamm-like state is strongly localised to the last Mn atom of the chain and fully spin polarised. However, no equivalence is found for occupied states, and the electronic structure at $sim -1$ eV is mainly spin unpolarised due to the extended $p$-states of the N atoms that mediate the coupling between the Mn atoms in the chain. Odd-numbered Mn chains present an exponentially decreasing direct coupling with distance between the two edges, leading to a vanishing bonding/anti-bonding splitting of states while even-numbered Mn chains present perfect decoupling of both edges due to the the antiferromagnetic ordering of Mn chains.
Heterogeneous atomic magnetic chains are built by atom manipulation on a Cu$_2$N/Cu (100) substrate. Their magnetic properties are studied and rationalized by a combined scanning tunneling microscopy (STM) and density functional theory (DFT) work completed by model Hamiltonian studies. The chains are built using Fe and Mn atoms ontop of the Cu atoms along the N rows of the Cu$_2$N surface. Here, we present results for FeMn$_x$ ($x$=1...6) chains emphasizing the evolution of the geometrical, electronic, and magnetic properties with chain size. By fitting our results to a Heisenberg Hamiltonian we have studied the exchange-coupling matrix elements $J$ for different chains. For the shorter chains, $x leq 2$, we have included spin-orbit effects in the DFT calculations, extracting the magnetic anisotropy energy. Our results are also fitted to a simple anisotropic spin Hamiltonian and we have extracted values for the longitudinal-anisotropy $D$ and transversal-anisotropy $E$ constants. These parameters together with the values for $J$ allow us to compute the magnetic excitation energies of the system and to compare them with the experimental data.
Growth, electronic and magnetic properties of $gamma$-Fe$_{4}$N atomic layers on Cu(001) are studied by scanning tunneling microscopy/spectroscopy and x-ray absorption spectroscopy/magnetic circular dichroism. A continuous film of ordered trilayer $gamma$-Fe$_{4}$N is obtained by Fe deposition under N$_{2}$ atmosphere onto monolayer Fe$_{2}$N/Cu(001), while the repetition of a bombardment with 0.5 keV N$^{+}$ ions during growth cycles results in imperfect bilayer $gamma$-Fe$_{4}$N. The increase in the sample thickness causes the change of the surface electronic structure, as well as the enhancement in the spin magnetic moment of Fe atoms reaching $sim$ 1.4 $mu_{mathrm B}$/atom in the trilayer sample. The observed thickness-dependent properties of the system are well interpreted by layer-resolved density of states calculated using first principles, which demonstrates the strongly layer-dependent electronic states within each surface, subsurface, and interfacial plane of the $gamma$-Fe$_{4}$N atomic layers on Cu(001).
We have used the indium/copper surface alloy to study the dynamics of surface vacancies on the Cu(001) surface. Individual indium atoms that are embedded within the first layer of the crystal, are used as probes to detect the rapid diffusion of surface vacancies. STM measurements show that these indium atoms make multi-lattice-spacing jumps separated by long time intervals. Temperature dependent waiting time distributions show that the creation and diffusion of thermal vacancies form an Arrhenius type process with individual long jumps being caused by one vacancy only. The length of the long jumps is shown to depend on the specific location of the indium atom and is directly related to the lifetime of vacancies at these sites on the surface. This observation is used to expose the role of step edges as emitting and absorbing boundaries for vacancies.
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